[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O5/c1-15(2)20(25-22(28)30-13-16-8-4-3-5-9-16)21(27)29-14-19(26)24-18-11-7-6-10-17(18)12-23/h3-11,15,20H,13-14H2,1-2H3,(H,24,26)(H,25,28)/t20-/m0/s1